Geometry & MOs

Info

ID:	231610
PubChem CID:	87574304
Reduced:	O3F4N4H14C17 (1)
Stoich.:	A3B4C4D14E17 (1)
Weight, g/mol:	376.308979
ΔH_f, kcal/mol:	-248.46
Dipole, Da:	3.56
IP(EA), eV:	-9.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,8R,9R,10R,13S,14S)-3-(2-aminoethoxyimino)-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CN3C(=NN(C3=O)CCF)C=C2)OC(F)(F)F

DOS

IR

Vibrations